PCIDB

KNApSAcK Metabolite C00009061

Metabolite

KNApSAcK Entry

id C00009061
Name Ourateaproanthocyanidin A
CAS RN 18206-61-6
Standard InChI InChI=1S/C31H28O12/c1-41-31-20(37)6-13(7-21(31)38)28-22(39)10-16-17(34)11-19(36)25(30(16)43-28)26-24-18(35)8-15(33)9-23(24)42-29(27(26)40)12-2-4-14(32)5-3-12/h2-9,11,22,26-29,32-40H,10H2,1H3/t22-,26-,27-,28-,29-/m1/s1
Standard InChI (Main Layer) InChI=1S/C31H28O12/c1-41-31-20(37)6-13(7-21(31)38)28-22(39)10-16-17(34)11-19(36)25(30(16)43-28)26-24-18(35)8-15(33)9-23(24)42-29(27(26)40)12-2-4-14(32)5-3-12/h2-9,11,22,26-29,32-40H,10H2,1H3

Cluster

Phytochemical cluster No. 19
KCF-S cluster No. 16

Link

ChEMBL

By standard InChI CHEMBL503797
By standard InChI Main Layer CHEMBL503797

KEGG

By LinkDB

CTD

By CAS RN C013221

Human Protein / Gene in interaction

2 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P35354 Prostaglandin G/H synthase 2 Oxidoreductase CHEMBL503797 CHEMBL1008564 (1)
0 / 3
P23219 Prostaglandin G/H synthase 1 Oxidoreductase CHEMBL503797 CHEMBL1008496 (1)
0 / 0

CTD interaction (4)

compound gene gene name gene description interaction interaction type form reference
pmid
C013221 729230 CCR2
CC-CKR-2
CCR-2
CCR2A
CCR2B
CD192
CKR2
CKR2A
CKR2B
CMKBR2
MCP-1-R
chemokine (C-C motif) receptor 2 proanthocyanidin results in decreased expression of CCR2 mRNA decreases expression
mRNA 12462994
C013221 1232 CCR3
CC-CKR-3
CD193
CKR3
CMKBR3
chemokine (C-C motif) receptor 3 proanthocyanidin results in decreased expression of CCR3 mRNA decreases expression
mRNA 12462994
C013221 1232 CCR3
CC-CKR-3
CD193
CKR3
CMKBR3
chemokine (C-C motif) receptor 3 proanthocyanidin results in decreased expression of CCR3 protein decreases expression
protein 12462994
C013221 1234 CCR5
CC-CKR-5
CCCKR5
CCR-5
CD195
CKR-5
CKR5
CMKBR5
IDDM22
chemokine (C-C motif) receptor 5 (gene/pseudogene) proanthocyanidin results in decreased expression of CCR5 mRNA decreases expression
mRNA 12462994

Related Disease

Diseases related to proteins in ChEMBL interactions

KEGG DISEASE (3)

KEGG disease name UniProt
H00017 Esophageal cancer P35354 (related)
H00025 Penile cancer P35354 (related)
H00046 Cholangiocarcinoma P35354 (related)

Diseases related to CTD interactions

6 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D011125 C013221 Adenomatous Polyposis Coli therapeutic
18205911
D001929 C013221 Brain Edema therapeutic
19847756
D006940 C013221 Hyperemia therapeutic
18205911
D009410 C013221 Nerve Degeneration therapeutic
19847756
D011537 C013221 Pruritus therapeutic
18205911
D014839 C013221 Vomiting therapeutic
18205911